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Product No: AJ9319

(-)-2,6-Bis[(4S)-4-phenyl-2-oxazolin-2-yl]pyridine, 98+% (S, S)-Ph-pybox

Name: (-)-2,6-Bis[(4S)-4-phenyl-2-oxazolin-2-yl]pyridine, 98+% (S
Brand: Chempure

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CAS Number

174500-20-0

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IUPAC name	(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
canonical smiles	C1C(N=C(O1)C2=NC(=CC=C2)C3=NC(CO3)C4=CC=CC=C4)C5=CC=CC=C5
inchi	InChI=1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1
inchi key	HLHBIMJNCKZZQO-NHCUHLMSSA-N
molecular formula	C23H19N3O2
synonyms	174500-20-0 2,6-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine (S,S)-PH-PYBOX 2,6-Bis[(4S)-phenyl-2-(oxazolin-2-yl)]pyridine 2,6-Bis[(4S)-4-phenyl-2-oxazolinyl]pyridine

Computed Properties

Molecular Weight:	369.4 g/mol
XLogP3:	4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	4
Exact Mass:	369.147726857 g/mol
Monoisotopic Mass:	369.147726857 g/mol
Topological Polar Surface Area:	56.1 Å²
Heavy Atom Count:	28
Formal Charge:	0
Complexity:	543
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	2
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

(R,R)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine

2,6-Bis(4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine

(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine

2-Phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole

2,6-Bis[(4S,5S)-4-methyl-5-phenyl-2-oxazolinyl]pyridine

2,6-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine

4-Phenyl-2-[6-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyridin-2-yl]-4,5-dihydro-1,3-oxazole

2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine

2,6-Bis[(4R,5R)-4-methyl-5-phenyl-2-oxazolinyl]pyridine

2,6-Bis((3aR,8aS)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine

2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine

2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine

m-Quinquephenyl

2,6-Bis((S)-4,5-dihydro-4-phenethyloxazol-2-yl)pyridine

1-Methyl-2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridin-1-ium

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Documentation

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
canonical smiles	C1C(N=C(O1)C2=NC(=CC=C2)C3=NC(CO3)C4=CC=CC=C4)C5=CC=CC=C5
inchi	InChI=1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1
inchi key	HLHBIMJNCKZZQO-NHCUHLMSSA-N
molecular formula	C23H19N3O2
synonyms	174500-20-0 2,6-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine (S,S)-PH-PYBOX 2,6-Bis[(4S)-phenyl-2-(oxazolin-2-yl)]pyridine 2,6-Bis[(4S)-4-phenyl-2-oxazolinyl]pyridine

Computed Properties

Molecular Weight:	369.4 g/mol
XLogP3:	4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	4
Exact Mass:	369.147726857 g/mol
Monoisotopic Mass:	369.147726857 g/mol
Topological Polar Surface Area:	56.1 Å²
Heavy Atom Count:	28
Formal Charge:	0
Complexity:	543
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	2
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

(R,R)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine

2,6-Bis(4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine

(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine

2-Phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole

2,6-Bis[(4S,5S)-4-methyl-5-phenyl-2-oxazolinyl]pyridine

2,6-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine

4-Phenyl-2-[6-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyridin-2-yl]-4,5-dihydro-1,3-oxazole

2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine

2,6-Bis[(4R,5R)-4-methyl-5-phenyl-2-oxazolinyl]pyridine

2,6-Bis((3aR,8aS)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine

2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine

2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine

m-Quinquephenyl

2,6-Bis((S)-4,5-dihydro-4-phenethyloxazol-2-yl)pyridine

1-Methyl-2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridin-1-ium

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AJ9319

(-)-2,6-Bis[(4S)-4-phenyl-2-oxazolin-2-yl]pyridine, 98+% (S, S)-Ph-pybox

Product No: AJ9319

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: AJ9319

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?